A1A7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | sing | 1.61Å | 1.48Å | |
| ON | CM | doub | 1.21Å | 1.22Å | |
| NN | CM | sing | 1.35Å | 1.33Å | |
| NN | CO | sing | 1.47Å | 1.49Å | |
| CM | CL3 | sing | 1.51Å | 1.58Å | |
| CP | CO | sing | 1.53Å | 1.53Å | |
| CP | CQ | sing | 1.51Å | 1.52Å | |
| P | O2P | doub | 1.48Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.47Å | |
| CJ | O3P | sing | 1.43Å | 1.44Å | |
| CJ | CK | sing | 1.53Å | 1.57Å | |
| OR | CQ | doub | 1.21Å | 1.23Å | |
| CL3 | OM | sing | 1.43Å | 1.41Å | |
| CL3 | CK | sing | 1.53Å | 1.58Å | |
| CQ | NR | sing | 1.35Å | 1.32Å | |
| CK | CL2 | sing | 1.53Å | 1.53Å | |
| CK | CL1 | sing | 1.53Å | 1.53Å | |
| NR | CS | sing | 1.47Å | 1.46Å | |
| CS | CT | sing | 1.53Å | 1.52Å | |
| CT | SU | sing | 1.81Å | 1.83Å | |
| CAA | CZ2 | doub | 1.39Å | 1.38Å | Aromatic |
| CAA | CZ1 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ2 | CY2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ1 | CY1 | doub | 1.39Å | 1.41Å | Aromatic |
| CY2 | CX | doub | 1.40Å | 1.38Å | Aromatic |
| CY1 | CX | sing | 1.40Å | 1.43Å | Aromatic |
| CY1 | OZ | sing | 1.36Å | 1.37Å | |
| CX | CV | sing | 1.48Å | 1.51Å | |
| SU | CV | sing | 1.76Å | 1.78Å | |
| CV | OW | doub | 1.22Å | 1.26Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| OZ | HZ | sing | 0.97Å | 0.95Å | |
| CJ | HJ3 | sing | 1.09Å | 1.10Å | |
| CJ | HJ2 | sing | 1.09Å | 1.10Å | |
| CL1 | HL12 | sing | 1.09Å | 1.10Å | |
| CL1 | HL11 | sing | 1.09Å | 1.10Å | |
| CL1 | HL13 | sing | 1.09Å | 1.10Å | |
| CL2 | HL22 | sing | 1.09Å | 1.10Å | |
| CL2 | HL21 | sing | 1.09Å | 1.10Å | |
| CL2 | HL23 | sing | 1.09Å | 1.10Å | |
| OM | HM | sing | 0.97Å | 0.95Å | |
| NN | HN | sing | 0.97Å | 1.00Å | |
| CL3 | HL3 | sing | 1.09Å | 1.10Å | |
| CO | HO3 | sing | 1.09Å | 1.10Å | |
| CO | HO2 | sing | 1.09Å | 1.10Å | |
| CP | HP2 | sing | 1.09Å | 1.10Å | |
| CP | HP3 | sing | 1.09Å | 1.10Å | |
| CS | HS2 | sing | 1.09Å | 1.10Å | |
| CS | HS3 | sing | 1.09Å | 1.10Å | |
| CT | HT2 | sing | 1.09Å | 1.10Å | |
| CT | HT3 | sing | 1.09Å | 1.10Å | |
| CY2 | HY2 | sing | 1.08Å | 1.08Å | |
| NR | HR | sing | 0.97Å | 1.00Å | |
| P | O4P | sing | 1.61Å | 1.56Å | |
| O4P | H4 | sing | 0.97Å | 0.95Å | |
| O1P | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 110.9° | 109.5° |
| O1P | P | O3P | 109.5° | 109.5° |
| O1P | P | O4P | 108.3° | 109.4° |
| P | O1P | H1 | 109.5° | 114.1° |
| ON | CM | NN | 121.0° | 120.0° |
| ON | CM | CL3 | 116.9° | 120.0° |
| CM | NN | CO | 125.5° | 120.0° |
| NN | CM | CL3 | 122.1° | 120.0° |
| CM | NN | HN | 117.3° | 120.0° |
| NN | CO | CP | 111.2° | 109.5° |
| CO | NN | HN | 117.2° | 120.0° |
| NN | CO | HO3 | 109.1° | 109.5° |
| NN | CO | HO2 | 109.1° | 109.5° |
| CM | CL3 | OM | 107.1° | 109.5° |
| CM | CL3 | CK | 120.0° | 109.5° |
| CM | CL3 | HL3 | 105.8° | 109.5° |
| CO | CP | CQ | 114.6° | 109.5° |
| CP | CO | HO3 | 109.0° | 109.5° |
| CP | CO | HO2 | 109.0° | 109.4° |
| CO | CP | HP2 | 108.2° | 109.5° |
| CO | CP | HP3 | 108.2° | 109.5° |
| CP | CQ | OR | 121.4° | 120.0° |
| CP | CQ | NR | 115.7° | 120.0° |
| CQ | CP | HP2 | 108.2° | 109.5° |
| CQ | CP | HP3 | 108.2° | 109.4° |
| O2P | P | O3P | 111.0° | 109.5° |
| O2P | P | O4P | 108.3° | 109.5° |
| P | O3P | CJ | 117.3° | 123.0° |
| O3P | P | O4P | 108.8° | 109.5° |
| O3P | CJ | CK | 109.9° | 109.5° |
| O3P | CJ | HJ3 | 109.4° | 109.5° |
| O3P | CJ | HJ2 | 109.4° | 109.5° |
| CJ | CK | CL3 | 110.0° | 109.4° |
| CJ | CK | CL2 | 106.8° | 109.5° |
| CJ | CK | CL1 | 109.2° | 109.5° |
| CK | CJ | HJ3 | 109.4° | 109.5° |
| CK | CJ | HJ2 | 109.4° | 109.5° |
| OR | CQ | NR | 122.9° | 120.0° |
| OM | CL3 | CK | 109.6° | 109.5° |
| CL3 | OM | HM | 109.5° | 114.1° |
| OM | CL3 | HL3 | 107.9° | 109.5° |
| CL3 | CK | CL2 | 109.5° | 109.5° |
| CL3 | CK | CL1 | 113.5° | 109.5° |
| CK | CL3 | HL3 | 105.9° | 109.5° |
| CQ | NR | CS | 124.3° | 120.0° |
| CQ | NR | HR | 117.9° | 120.0° |
| CL2 | CK | CL1 | 107.5° | 109.5° |
| CK | CL2 | HL22 | 109.5° | 109.5° |
| CK | CL2 | HL21 | 109.5° | 109.5° |
| CK | CL2 | HL23 | 109.5° | 109.4° |
| CK | CL1 | HL12 | 109.5° | 109.5° |
| CK | CL1 | HL11 | 109.5° | 109.5° |
| CK | CL1 | HL13 | 109.5° | 109.5° |
| NR | CS | CT | 113.2° | 109.5° |
| NR | CS | HS2 | 108.6° | 109.4° |
| NR | CS | HS3 | 108.6° | 109.5° |
| CS | NR | HR | 117.9° | 120.0° |
| CS | CT | SU | 111.0° | 109.5° |
| CT | CS | HS2 | 108.5° | 109.5° |
| CT | CS | HS3 | 108.5° | 109.5° |
| CS | CT | HT2 | 109.1° | 109.5° |
| CS | CT | HT3 | 109.1° | 109.4° |
| CT | SU | CV | 103.8° | 100.0° |
| SU | CT | HT2 | 109.1° | 109.5° |
| SU | CT | HT3 | 109.1° | 109.5° |
| CZ2 | CAA | CZ1 | 120.2° | 120.4° |
| CAA | CZ2 | CY2 | 120.8° | 120.3° |
| CZ2 | CAA | HAA | 119.9° | 119.8° |
| CAA | CZ2 | HZ2 | 119.6° | 119.9° |
| CAA | CZ1 | CY1 | 120.0° | 120.1° |
| CZ1 | CAA | HAA | 119.9° | 119.8° |
| CAA | CZ1 | HZ1 | 120.0° | 120.0° |
| CZ2 | CY2 | CX | 120.8° | 119.9° |
| CY2 | CZ2 | HZ2 | 119.6° | 119.8° |
| CZ2 | CY2 | HY2 | 119.6° | 120.1° |
| CZ1 | CY1 | CX | 119.6° | 119.7° |
| CZ1 | CY1 | OZ | 119.9° | 120.1° |
| CY1 | CZ1 | HZ1 | 120.0° | 120.0° |
| CY2 | CX | CY1 | 118.6° | 119.6° |
| CY2 | CX | CV | 118.5° | 120.2° |
| CX | CY2 | HY2 | 119.6° | 120.0° |
| CX | CY1 | OZ | 120.5° | 120.2° |
| CY1 | CX | CV | 122.9° | 120.2° |
| CY1 | OZ | HZ | 109.5° | 114.0° |
| CX | CV | SU | 117.6° | 120.0° |
| CX | CV | OW | 122.4° | 120.0° |
| SU | CV | OW | 119.9° | 120.0° |
| HJ3 | CJ | HJ2 | 109.5° | 109.4° |
| HL12 | CL1 | HL11 | 109.5° | 109.4° |
| HL12 | CL1 | HL13 | 109.4° | 109.5° |
| HL11 | CL1 | HL13 | 109.5° | 109.4° |
| HL22 | CL2 | HL21 | 109.5° | 109.5° |
| HL22 | CL2 | HL23 | 109.5° | 109.5° |
| HL21 | CL2 | HL23 | 109.5° | 109.5° |
| HO3 | CO | HO2 | 109.4° | 109.4° |
| HP2 | CP | HP3 | 109.5° | 109.5° |
| HS2 | CS | HS3 | 109.5° | 109.4° |
| HT2 | CT | HT3 | 109.5° | 109.5° |
| P | O4P | H4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 121.9° | 120.0° |
| O1P | P | O2P | O4P | 118.7° | 120.0° |
| O1P | P | O3P | O4P | 118.3° | 120.0° |
| O1P | P | O3P | CJ | 30.0° | 175.0° |
| O1P | P | O4P | H4 | 120.3° | 60.1° |
| ON | CM | NN | CL3 | 179.1° | 179.9° |
| ON | CM | NN | CO | 89.6° | 4.7° |
| ON | CM | CL3 | OM | 54.0° | 10.8° |
| ON | CM | CL3 | CK | 179.6° | 109.2° |
| ON | CM | NN | HN | 90.4° | 175.3° |
| ON | CM | CL3 | HL3 | 60.9° | 130.8° |
| CM | NN | CO | HN | 180.0° | 180.0° |
| CM | NN | CO | CP | 172.5° | 180.0° |
| NN | CM | CL3 | OM | 126.9° | 169.3° |
| NN | CM | CL3 | CK | 1.2° | 70.7° |
| NN | CM | CL3 | HL3 | 118.2° | 49.2° |
| CM | NN | CO | HO3 | 67.3° | 59.9° |
| CM | NN | CO | HO2 | 52.2° | 60.0° |
| CO | NN | CM | CL3 | 91.3° | 175.2° |
| NN | CO | CP | HO3 | 120.3° | 120.1° |
| NN | CO | CP | HO2 | 120.3° | 120.0° |
| NN | CO | CP | CQ | 167.9° | 180.0° |
| NN | CO | HO3 | HO2 | 119.2° | 120.0° |
| NN | CO | CP | HP2 | 47.1° | 60.0° |
| NN | CO | CP | HP3 | 71.4° | 60.0° |
| CM | CL3 | CK | CJ | 51.8° | 54.4° |
| CM | CL3 | OM | CK | 131.7° | 120.0° |
| CM | CL3 | OM | HL3 | 113.5° | 120.0° |
| CM | CL3 | CK | HL3 | 119.4° | 120.0° |
| CM | CL3 | CK | CL2 | 168.9° | 174.4° |
| CM | CL3 | CK | CL1 | 70.9° | 65.6° |
| CM | CL3 | OM | HM | 21.6° | 60.0° |
| CL3 | CM | NN | HN | 88.7° | 4.8° |
| CO | CP | CQ | HP2 | 120.8° | 120.0° |
| CO | CP | CQ | HP3 | 120.7° | 120.0° |
| CO | CP | CQ | OR | 89.5° | 0.1° |
| CO | CP | CQ | NR | 91.4° | 180.0° |
| CP | CO | NN | HN | 7.6° | 0.0° |
| CP | CO | HO3 | HO2 | 119.2° | 119.9° |
| CO | CP | HP2 | HP3 | 117.7° | 120.0° |
| CP | CQ | OR | NR | 179.1° | 179.9° |
| CP | CQ | NR | CS | 91.1° | 180.0° |
| CQ | CP | CO | HO3 | 71.8° | 59.9° |
| CQ | CP | CO | HO2 | 47.6° | 60.0° |
| CQ | CP | HP2 | HP3 | 117.7° | 119.9° |
| CP | CQ | NR | HR | 88.9° | 0.0° |
| O2P | P | O3P | O4P | 119.0° | 120.0° |
| O2P | P | O3P | CJ | 152.7° | 55.0° |
| O2P | P | O4P | H4 | 0.0° | 180.0° |
| O2P | P | O1P | H1 | 0.0° | 60.0° |
| P | O3P | CJ | CK | 156.7° | 180.0° |
| P | O3P | CJ | HJ3 | 36.7° | 60.0° |
| P | O3P | CJ | HJ2 | 83.2° | 60.0° |
| O3P | P | O4P | H4 | 120.7° | 60.0° |
| O3P | P | O1P | H1 | 122.7° | 180.0° |
| O3P | CJ | CK | HJ3 | 120.1° | 120.0° |
| O3P | CJ | CK | HJ2 | 120.1° | 120.0° |
| O3P | CJ | CK | CL3 | 133.0° | 180.0° |
| O3P | CJ | CK | CL2 | 108.2° | 60.0° |
| O3P | CJ | CK | CL1 | 7.8° | 60.0° |
| O3P | CJ | HJ3 | HJ2 | 119.8° | 119.9° |
| CJ | O3P | P | O4P | 88.3° | 65.0° |
| CJ | CK | CL3 | OM | 176.3° | 65.6° |
| CJ | CK | CL3 | CL2 | 117.1° | 120.0° |
| CJ | CK | CL3 | CL1 | 122.7° | 120.0° |
| CJ | CK | CL2 | CL1 | 117.2° | 120.0° |
| CK | CJ | HJ3 | HJ2 | 119.8° | 120.0° |
| CJ | CK | CL1 | HL12 | 180.0° | 65.4° |
| CJ | CK | CL1 | HL11 | 60.0° | 174.6° |
| CJ | CK | CL1 | HL13 | 60.0° | 54.7° |
| CJ | CK | CL2 | HL22 | 180.0° | 53.2° |
| CJ | CK | CL2 | HL21 | 60.0° | 173.2° |
| CJ | CK | CL2 | HL23 | 60.0° | 66.8° |
| CJ | CK | CL3 | HL3 | 67.6° | 174.3° |
| OR | CQ | NR | CS | 89.8° | 0.1° |
| OR | CQ | CP | HP2 | 149.8° | 119.9° |
| OR | CQ | CP | HP3 | 31.3° | 120.1° |
| OR | CQ | NR | HR | 90.2° | 179.9° |
| OM | CL3 | CK | HL3 | 116.1° | 120.0° |
| OM | CL3 | CK | CL2 | 66.5° | 54.3° |
| OM | CL3 | CK | CL1 | 53.6° | 174.4° |
| CL3 | CK | CL2 | CL1 | 123.8° | 120.0° |
| CL3 | CK | CJ | HJ3 | 13.0° | 60.0° |
| CL3 | CK | CJ | HJ2 | 106.9° | 60.0° |
| CL3 | CK | CL1 | HL12 | 56.9° | 174.7° |
| CL3 | CK | CL1 | HL11 | 176.9° | 54.7° |
| CL3 | CK | CL1 | HL13 | 63.1° | 65.3° |
| CL3 | CK | CL2 | HL22 | 60.9° | 66.8° |
| CL3 | CK | CL2 | HL21 | 59.1° | 53.3° |
| CL3 | CK | CL2 | HL23 | 179.1° | 173.2° |
| CK | CL3 | OM | HM | 153.3° | 60.0° |
| CQ | NR | CS | HR | 180.0° | 180.0° |
| CQ | NR | CS | CT | 155.9° | 180.0° |
| NR | CQ | CP | HP2 | 29.4° | 60.0° |
| NR | CQ | CP | HP3 | 147.9° | 60.0° |
| CQ | NR | CS | HS2 | 83.6° | 60.0° |
| CQ | NR | CS | HS3 | 35.4° | 59.9° |
| CL2 | CK | CJ | HJ3 | 131.8° | 180.0° |
| CL2 | CK | CJ | HJ2 | 11.9° | 60.0° |
| CL2 | CK | CL1 | HL12 | 64.5° | 54.7° |
| CL2 | CK | CL1 | HL11 | 55.6° | 65.3° |
| CL2 | CK | CL1 | HL13 | 175.6° | 174.7° |
| CK | CL2 | HL22 | HL21 | 120.0° | 120.0° |
| CK | CL2 | HL22 | HL23 | 120.0° | 120.0° |
| CK | CL2 | HL21 | HL23 | 120.0° | 120.0° |
| CL2 | CK | CL3 | HL3 | 49.5° | 65.7° |
| CL1 | CK | CJ | HJ3 | 112.3° | 60.0° |
| CL1 | CK | CJ | HJ2 | 127.9° | 180.0° |
| CK | CL1 | HL12 | HL11 | 120.0° | 120.0° |
| CK | CL1 | HL12 | HL13 | 120.0° | 120.1° |
| CK | CL1 | HL11 | HL13 | 120.0° | 120.0° |
| CL1 | CK | CL2 | HL22 | 62.8° | 173.2° |
| CL1 | CK | CL2 | HL21 | 177.1° | 66.7° |
| CL1 | CK | CL2 | HL23 | 57.1° | 53.2° |
| CL1 | CK | CL3 | HL3 | 169.7° | 54.4° |
| NR | CS | CT | HS2 | 120.6° | 119.9° |
| NR | CS | CT | HS3 | 120.5° | 120.1° |
| NR | CS | CT | SU | 175.1° | 180.0° |
| NR | CS | HS2 | HS3 | 118.4° | 120.0° |
| NR | CS | CT | HT2 | 64.7° | 60.0° |
| NR | CS | CT | HT3 | 54.9° | 60.0° |
| CS | CT | SU | HT2 | 120.3° | 120.0° |
| CS | CT | SU | HT3 | 120.2° | 119.9° |
| CS | CT | SU | CV | 174.6° | 180.0° |
| CT | CS | HS2 | HS3 | 118.3° | 120.1° |
| CS | CT | HT2 | HT3 | 119.3° | 119.9° |
| CT | CS | NR | HR | 24.1° | 0.0° |
| CT | SU | CV | CX | 5.0° | 180.0° |
| CT | SU | CV | OW | 174.5° | 0.1° |
| SU | CT | CS | HS2 | 54.5° | 60.1° |
| SU | CT | CS | HS3 | 64.3° | 59.9° |
| SU | CT | HT2 | HT3 | 119.3° | 120.0° |
| CZ2 | CAA | CZ1 | HAA | 180.0° | 179.6° |
| CAA | CZ2 | CY2 | HZ2 | 180.0° | 179.9° |
| CZ2 | CAA | CZ1 | CY1 | 0.5° | 0.0° |
| CAA | CZ2 | CY2 | CX | 0.7° | 0.1° |
| CZ2 | CAA | CZ1 | HZ1 | 179.5° | 180.0° |
| CAA | CZ2 | CY2 | HY2 | 179.3° | 180.0° |
| CZ1 | CAA | CZ2 | CY2 | 0.1° | 0.0° |
| CAA | CZ1 | CY1 | HZ1 | 180.0° | 179.9° |
| CAA | CZ1 | CY1 | CX | 0.5° | 0.0° |
| CAA | CZ1 | CY1 | OZ | 179.4° | 180.0° |
| CZ1 | CAA | CZ2 | HZ2 | 179.9° | 179.9° |
| CZ2 | CY2 | CX | HY2 | 180.0° | 179.9° |
| CZ2 | CY2 | CX | CY1 | 0.7° | 0.1° |
| CZ2 | CY2 | CX | CV | 179.0° | 179.9° |
| CY2 | CZ2 | CAA | HAA | 179.9° | 179.6° |
| CZ1 | CY1 | CX | CY2 | 0.1° | 0.1° |
| CZ1 | CY1 | CX | OZ | 179.9° | 180.0° |
| CZ1 | CY1 | CX | CV | 179.6° | 180.0° |
| CY1 | CZ1 | CAA | HAA | 179.5° | 179.7° |
| CZ1 | CY1 | OZ | HZ | 180.0° | 90.0° |
| CY2 | CX | CY1 | CV | 179.7° | 179.9° |
| CY2 | CX | CY1 | OZ | 180.0° | 179.9° |
| CY2 | CX | CV | SU | 104.8° | 0.1° |
| CY2 | CX | CV | OW | 74.6° | 180.0° |
| CX | CY2 | CZ2 | HZ2 | 179.3° | 180.0° |
| CY1 | CX | CV | SU | 75.5° | 180.0° |
| CY1 | CX | CV | OW | 105.1° | 0.1° |
| CX | CY1 | CZ1 | HZ1 | 179.5° | 179.9° |
| CX | CY1 | OZ | HZ | 0.1° | 90.0° |
| CY1 | CX | CY2 | HY2 | 179.3° | 180.0° |
| OZ | CY1 | CX | CV | 0.3° | 0.0° |
| OZ | CY1 | CZ1 | HZ1 | 0.6° | 0.0° |
| CX | CV | SU | OW | 179.5° | 179.9° |
| CV | CX | CY2 | HY2 | 1.0° | 0.0° |
| CV | SU | CT | HT2 | 54.4° | 60.0° |
| CV | SU | CT | HT3 | 65.2° | 60.1° |
| HAA | CAA | CZ1 | HZ1 | 0.5° | 0.4° |
| HAA | CAA | CZ2 | HZ2 | 0.1° | 0.3° |
| HZ2 | CZ2 | CY2 | HY2 | 0.7° | 0.1° |
| HL12 | CL1 | HL11 | HL13 | 120.0° | 120.0° |
| HL22 | CL2 | HL21 | HL23 | 120.0° | 120.0° |
| HM | OM | CL3 | HL3 | 91.9° | 180.0° |
| HN | NN | CO | HO3 | 112.7° | 120.0° |
| HN | NN | CO | HO2 | 127.8° | 120.0° |
| HO3 | CO | CP | HP2 | 167.4° | 179.9° |
| HO3 | CO | CP | HP3 | 48.9° | 60.1° |
| HO2 | CO | CP | HP2 | 73.2° | 60.0° |
| HO2 | CO | CP | HP3 | 168.3° | 180.0° |
| HS2 | CS | CT | HT2 | 174.8° | 60.0° |
| HS2 | CS | CT | HT3 | 65.7° | 180.0° |
| HS2 | CS | NR | HR | 96.4° | 120.0° |
| HS3 | CS | CT | HT2 | 55.9° | 180.0° |
| HS3 | CS | CT | HT3 | 175.4° | 60.0° |
| HS3 | CS | NR | HR | 144.6° | 120.1° |
| O4P | P | O1P | H1 | 118.7° | 60.0° |
